4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide

C15H17ClN2O2S — CID 43093327

IUPAC4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide
SMILESCC(NCc1ccc(S(N)(=O)=O)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-11(13-3-2-4-14(16)9-13)18-10-12-5-7-15(8-6-12)21(17,19)20/h2-9,11,18H,10H2,1H3,(H2,17,19,20)
InChIKeyBLDKTGMSWAJHOV-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.84
Rot. Bonds5

About 4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide

4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide (PubChem CID 43093327) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide
PubChem CID43093327
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide
SMILESCC(NCc1ccc(S(N)(=O)=O)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-11(13-3-2-4-14(16)9-13)18-10-12-5-7-15(8-6-12)21(17,19)20/h2-9,11,18H,10H2,1H3,(H2,17,19,20)
InChIKeyBLDKTGMSWAJHOV-UHFFFAOYSA-N
XLogP2.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(3-bromophenyl)ethylamino]methyl]benzenesulfonamide
CID 43096431
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
(1S)-N-[(4-bromophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649443
(1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 28649765
4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]benzoic acid
CID 81366062
1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79978825
(1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437957
4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide
CID 43426311
1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 54940014
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106816979
(1R)-1-(3-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine
CID 29031162
4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol
CID 107685896

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide (CID 43093327) is 4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide is CC(NCc1ccc(S(N)(=O)=O)cc1)c1cccc(Cl)c1.
What is the InChIKey of 4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide?
The InChIKey is BLDKTGMSWAJHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-11(13-3-2-4-14(16)9-13)18-10-12-5-7-15(8-6-12)21(17,19)20/h2-9,11,18H,10H2,1H3,(H2,17,19,20).
What are the key properties of 4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide?
4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 43093327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).